耗散颗粒动力学模拟
共聚物
材料科学
三元运算
表面张力
分子动力学
高分子化学
化学工程
粒子(生态学)
聚合物
复合材料
化学
热力学
计算化学
物理
地质学
海洋学
程序设计语言
工程类
计算机科学
作者
Lin Ye,Yongchao Jin,Xiyin Wang
出处
期刊:Molecules
[Multidisciplinary Digital Publishing Institute]
日期:2024-10-09
卷期号:29 (19): 4775-4775
标识
DOI:10.3390/molecules29194775
摘要
block copolymers on the interfacial properties of ternary blends. Our simulations show the following: (i) The capacity of block copolymers to diminish interfacial tension is closely linked to their compositions. With identical molecular weights and concentrations, H-shaped block copolymers outperform triblock copolymers in mitigating interfacial tension. (ii) The interfacial tension within the blends correlates positively with the escalation in H-shaped block copolymer molecular weight. This correlation suggests that H-shaped block copolymers featuring a low molecular weight demonstrate superior efficacy as compatibilizers when contrasted with those possessing a high molecular weight. (iii) Enhancing the concentration of H-shaped block copolymers fosters their accumulation at the interface, leading to a reduction in correlations between immiscible homopolymers and a consequent decrease in interfacial tension. (iv) As the length of the homopolymer chains increases, there is a concurrent elevation in interfacial tension, suggesting that H-shaped block copolymers perform more effectively as compatibilizers in blends characterized by shorter homopolymer chain lengths. These findings elucidate the associations between the efficacy of H-shaped block copolymer compatibilizers and their specific molecular characteristics.
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